Skip to main content
Log in

Coordination of indium monohalide with group-10 metal carbonyls [TM(CO)3(InX)]: a DFT study

  • Original Paper
  • Published:
Chemical Papers Aims and scope Submit manuscript

A Correction to this article was published on 25 August 2020

This article has been updated

Abstract

A DFT study carried out on the diatomic ligand of InX coordinated with metal carbonyls [TM(InX)(CO)3] (TM = Ni, Pd, and Pt) using B3LYP, CAM-B3LYP, M06-2X level of theories with the basis sets 6-31G*, 6-311G**, LANL2DZ, and SDD. The NBO analysis confirms the π bonding contribution is lesser than that of σ (sigma) bonding contribution in TM–InX bond and it emphasizes the greater contribution by the indium atom. The orbital interactions occur between indium and the transition metal (TM) via σ donation TM ← InX. The WBI analysis acknowledges that the TM = InX bonds are stronger than the TM–CO bonds. The energy gap between the HOMO–LUMO is predicted by FMO analysis. The EDA analysis confirms that the ΔEelstat (electrostatic interaction) is more than that of ΔEorb (covalent bonding) of the complexes.

Graphic abstract

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Fig. 1
Fig. 2
Fig. 3
Fig. 4

Similar content being viewed by others

Change history

  • 25 August 2020

    The original article can be found online.

References

Download references

Author information

Authors and Affiliations

Authors

Corresponding authors

Correspondence to Sekar Alagan or Thayalaraj Christopher Jeyakumar.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

The original version of this article was revised: “unfortunately co-author’s name has been published incorrectly”.

Electronic supplementary material

Below is the link to the electronic supplementary material.

Supplementary file1 (DOCX 25 kb)

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Paularokiadoss, F., Alagan, S. & Christopher Jeyakumar, T. Coordination of indium monohalide with group-10 metal carbonyls [TM(CO)3(InX)]: a DFT study. Chem. Pap. 75, 311–324 (2021). https://doi.org/10.1007/s11696-020-01297-w

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11696-020-01297-w

Keywords

Navigation